Compound Detail
CHEMBL132703
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Basic Information
| ChEMBL ID | CHEMBL132703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LACLHRYBUASBLN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
3.19
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2575 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| Dihydrofolate reductase CHEMBL2902 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 7943.28 | nM | 5.1 | Inhibition of chicken liver Dihydrofolate reductase (dihydrofolate reductase) | 9784101 |
| Dihydrofolate reductase | Ki | = | 100000.0 | nM | 4.0 | Inhibition of Dihydrofolate reductase from Lactobacillus casei | 9784101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784101 | 10.1021/jm970776j | Dihydrofolate reductase | 2 |
| 9784101 | 10.1021/jm970776j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine